(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine

C14H16INOS — CID 115853519

IUPAC(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2csc(I)c2)cc1
InChIInChI=1S/C14H16INOS/c1-2-7-17-12-5-3-10(4-6-12)14(16)11-8-13(15)18-9-11/h3-6,8-9,14H,2,7,16H2,1H3
InChIKeyDTJQRBVWFSUEHK-UHFFFAOYSA-N
MW373.26 g/mol
LogP4.19
Rot. Bonds5

About (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine

(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine (PubChem CID 115853519) has the molecular formula C14H16INOS and a molecular weight of 373.26 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
PubChem CID115853519
Molecular FormulaC14H16INOS
Molecular Weight373.26 g/mol
Exact Mass373.00
IUPAC Name(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2csc(I)c2)cc1
InChIInChI=1S/C14H16INOS/c1-2-7-17-12-5-3-10(4-6-12)14(16)11-8-13(15)18-9-11/h3-6,8-9,14H,2,7,16H2,1H3
InChIKeyDTJQRBVWFSUEHK-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917
(4-propoxyphenyl)-(thiadiazol-4-yl)methanamine
CID 105144161
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine (CID 115853519) is (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2csc(I)c2)cc1.
What is the InChIKey of (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine?
The InChIKey is DTJQRBVWFSUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INOS/c1-2-7-17-12-5-3-10(4-6-12)14(16)11-8-13(15)18-9-11/h3-6,8-9,14H,2,7,16H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine?
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine has a molecular weight of 373.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).